2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one

C15H13N3OS — CID 941901

IUPAC2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCCN(c1ccccc1)c1nc(=O)c2cccnc2s1
InChIInChI=1S/C15H13N3OS/c1-2-18(11-7-4-3-5-8-11)15-17-13(19)12-9-6-10-16-14(12)20-15/h3-10H,2H2,1H3
InChIKeyFCHZHKZZZGGPQU-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.21
Rot. Bonds3

About 2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one

2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 941901) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID941901
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESCCN(c1ccccc1)c1nc(=O)c2cccnc2s1
InChIInChI=1S/C15H13N3OS/c1-2-18(11-7-4-3-5-8-11)15-17-13(19)12-9-6-10-16-14(12)20-15/h3-10H,2H2,1H3
InChIKeyFCHZHKZZZGGPQU-UHFFFAOYSA-N
XLogP3.21
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one (CID 941901) is 2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one is CCN(c1ccccc1)c1nc(=O)c2cccnc2s1.
What is the InChIKey of 2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is FCHZHKZZZGGPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-18(11-7-4-3-5-8-11)15-17-13(19)12-9-6-10-16-14(12)20-15/h3-10H,2H2,1H3.
What are the key properties of 2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one?
2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 283.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 941901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).